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EC number: 445-680-3 | CAS number: 24088-77-5
- Life Cycle description
- Uses advised against
- Endpoint summary
- Appearance / physical state / colour
- Melting point / freezing point
- Boiling point
- Density
- Particle size distribution (Granulometry)
- Vapour pressure
- Partition coefficient
- Water solubility
- Solubility in organic solvents / fat solubility
- Surface tension
- Flash point
- Auto flammability
- Flammability
- Explosiveness
- Oxidising properties
- Oxidation reduction potential
- Stability in organic solvents and identity of relevant degradation products
- Storage stability and reactivity towards container material
- Stability: thermal, sunlight, metals
- pH
- Dissociation constant
- Viscosity
- Additional physico-chemical information
- Additional physico-chemical properties of nanomaterials
- Nanomaterial agglomeration / aggregation
- Nanomaterial crystalline phase
- Nanomaterial crystallite and grain size
- Nanomaterial aspect ratio / shape
- Nanomaterial specific surface area
- Nanomaterial Zeta potential
- Nanomaterial surface chemistry
- Nanomaterial dustiness
- Nanomaterial porosity
- Nanomaterial pour density
- Nanomaterial photocatalytic activity
- Nanomaterial radical formation potential
- Nanomaterial catalytic activity
- Endpoint summary
- Stability
- Biodegradation
- Bioaccumulation
- Transport and distribution
- Environmental data
- Additional information on environmental fate and behaviour
- Ecotoxicological Summary
- Aquatic toxicity
- Endpoint summary
- Short-term toxicity to fish
- Long-term toxicity to fish
- Short-term toxicity to aquatic invertebrates
- Long-term toxicity to aquatic invertebrates
- Toxicity to aquatic algae and cyanobacteria
- Toxicity to aquatic plants other than algae
- Toxicity to microorganisms
- Endocrine disrupter testing in aquatic vertebrates – in vivo
- Toxicity to other aquatic organisms
- Sediment toxicity
- Terrestrial toxicity
- Biological effects monitoring
- Biotransformation and kinetics
- Additional ecotoxological information
- Toxicological Summary
- Toxicokinetics, metabolism and distribution
- Acute Toxicity
- Irritation / corrosion
- Sensitisation
- Repeated dose toxicity
- Genetic toxicity
- Carcinogenicity
- Toxicity to reproduction
- Specific investigations
- Exposure related observations in humans
- Toxic effects on livestock and pets
- Additional toxicological data
Short-term toxicity to aquatic invertebrates
Administrative data
Link to relevant study record(s)
- Endpoint:
- short-term toxicity to aquatic invertebrates
- Type of information:
- (Q)SAR
- Adequacy of study:
- supporting study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
- Justification for type of information:
- 1. SOFTWARE
VEGA v1.1.4
2. MODEL (incl. version number)
Daphnia Magna LC50 48h (EPA) 1.0.7
3. SMILES OR OTHER IDENTIFIERS USED AS INPUT FOR THE MODEL
O=C1Oc2ccccc2(C(=O)N1)
4. SCIENTIFIC VALIDITY OF THE (Q)SAR MODEL
[Explain how the model fulfils the OECD principles for (Q)SAR model validation. Consider attaching the QMRF or providing a link]
See QMRF
5. APPLICABILITY DOMAIN
[Explain how the substance falls within the applicability domain of the model]
- Descriptor domain:
Not applicable as the QSAR is based on structural alerts.
- Structural and mechanistic domains:
All atom entered fragments of the compound have been found in the compounds of the training dataset.
- Similarity with analogues in the training set:
Similarity index = 0.808. Although only moderately similar structures are present in the training set, these contain the most important structures (benzene ring with OC(=O)N1 group) and predictions for these substances are highly accurate.
- Other considerations (as appropriate):
6. ADEQUACY OF THE RESULT
[Explain how the prediction fits the purpose of classification and labelling and/or risk assessment]
The QSAR prediction is used to support the experimental result from a structural analogue and to support the read-across (limited influence of the methyl group). - Qualifier:
- according to guideline
- Guideline:
- other: Guidance on information requirements and chemical safety assessment Chapter R.6: QSARs and grouping of chemicals
- Specific details on test material used for the study:
- SMILES: O=C1Oc2ccccc2(C(=O)N1)
- Duration:
- 48 h
- Dose descriptor:
- LC50
- Effect conc.:
- 1.13 mg/L
- Basis for effect:
- mortality
- Validity criteria fulfilled:
- not applicable
- Conclusions:
- Using the VEGA QSAR model for Daphnia Magna LC50 48h (EPA) v1.0.7, an LC50 of 1.13 mg/L was estimated.
- Endpoint:
- short-term toxicity to aquatic invertebrates
- Type of information:
- (Q)SAR
- Adequacy of study:
- supporting study
- Reliability:
- 2 (reliable with restrictions)
- Rationale for reliability incl. deficiencies:
- results derived from a valid (Q)SAR model and falling into its applicability domain, with adequate and reliable documentation / justification
- Qualifier:
- according to guideline
- Guideline:
- other: Guidance on information requirements and chemical safety assessment Chapter R.6: QSARs and grouping of chemicals
- Specific details on test material used for the study:
- SMILES: C1(=O)c2c(cc(C)cc2)OC(=O)N1
- Duration:
- 48 h
- Dose descriptor:
- LC50
- Effect conc.:
- 0.887 mg/L
- Basis for effect:
- mortality
- Validity criteria fulfilled:
- not applicable
- Conclusions:
- Using the VEGA QSAR model for Daphnia Magna LC50 48h (EPA) v1.0.7, an LC50 of 0.887 mg/L was estimated.
- Endpoint:
- short-term toxicity to aquatic invertebrates
- Type of information:
- experimental study
- Adequacy of study:
- key study
- Study period:
- 2018
- Reliability:
- 1 (reliable without restriction)
- Rationale for reliability incl. deficiencies:
- guideline study
- Qualifier:
- according to guideline
- Guideline:
- OECD Guideline 202 (Daphnia sp. Acute Immobilisation Test)
- Version / remarks:
- Adopted April 13, 2004
- Deviations:
- no
- GLP compliance:
- yes
- Analytical monitoring:
- yes
- Details on sampling:
- - Concentrations: At the end of the exposure period, the replicates were pooled at each concentration before sampling.
- Sampling method:
Frequency at t=0 h and t=48 h
Volume 2.0 mL from the approximate centre of the test vessels
- Sample storage conditions before analysis: Samples were stored in a freezer (≤-15°C) until analysis at the analytical laboratory of the Test Facility. - Vehicle:
- yes
- Remarks:
- water
- Details on test solutions:
- PREPARATION AND APPLICATION OF TEST SOLUTION (especially for difficult test substances)
The batch of 3,4-dihydro-2,4-dioxo-1,3-2h-benzoxazine tested was a white powder with a purity of approximately 99% which was completely soluble in test medium at the concentrations tested. No correction was made for the purity/composition of the test item.
Preparation of test solutions started with the highest concentration of 100 mg/L applying one hour of magnetic stirring followed by a 20-minute treatment period of ultrasonic waves to accelerate dissolution of the test item in medium. Only a few floating undissolved particles were observed in the highest test concentration, however they were considered negligible which was confirmed in the analytical analysis of the test solutions (measured concentration = 99.2 mg/L). Lower test concentrations were prepared by subsequent dilutions of the highest concentration in test medium. All test solutions were clear and colorless at the end of the preparation procedure. - Test organisms (species):
- Daphnia magna
- Details on test organisms:
- TEST ORGANISM
- Common name: Water flea
- Strain/clone: In-house laboratory culture with a known history.
- Justification for species other than prescribed by test guideline: This system has been selected as an internationally accepted invertebrate species.
- Source: In-house laboratory culture with a known history.
- Age of parental stock (mean and range, SD): <4 weeks
- Feeding during test: no
- Food type: /
- Amount: /
- Frequency: /
ACCLIMATION
- Acclimation conditions (same as test or not): same as test
- Type and amount of food: Daily, a suspension of fresh water algae
- Test type:
- static
- Water media type:
- freshwater
- Limit test:
- yes
- Total exposure duration:
- 48 h
- Test temperature:
- 19-20°C
- pH:
- 7.4-8.1
- Dissolved oxygen:
- 7.5-8.4 mg/L
- Nominal and measured concentrations:
- 0.10, 1.00, 10 and 100 mg/L.
The measured concentrations were at the level of nominal throughout the test duration (94-96%). - Details on test conditions:
- TEST SYSTEM
- Test vessel: 60 mL, all-glass
- Type (delete if not applicable): static
- Aeration: No aeration of the test solutions.
- No. of organisms per vessel: 5 per vessel containing 50 mL of test solution
- No. of vessels per concentration (replicates): 4 for the control and the highest test concentration.
2 per intermediate test concentration.
- No. of vessels per control (replicates): 4
TEST MEDIUM / WATER PARAMETERS
M7, as prescribed by Dr. Elendt-Schneider (Elendt, B.-P., 1990: Selenium deficiency in Crustacea. An ultrastructural approach to antennal damage in Daphnia magna Straus. Protoplasma 154, 25-33).
Composition of medium M7:
Adjusted ISO medium: the following chemicals (analytical grade) are dissolved in tap water purified by Reverse Osmosis (RO-water, GEON Waterbehandeling, Berkel-Enschot, The Netherlands):
Macro salts: CaCl2.2H2O 211.5 mg/L
MgSO4.7H2O 88.8 mg/L
NaHCO3 46.7 mg/L
KCl 4.2 mg/L
Medium M7: trace elements, macronutrients and vitamins are added to freshly prepared ISO medium to reach the following concentrations:
Trace elements:
B 0.125 mg/L
Fe 0.05 mg/L
Mn 0.025 mg/L
Li, Rb and Sr 0.0125 mg/L
Mo 0.0063 mg/L
Br 0.0025 mg/L
Cu 0.0016 mg/L
Zn 0.0063 mg/L
Co and I 0.0025 mg/L
Se 0.0010 mg/L
V 0.0003 mg/L
Na2EDTA.2H2O 2.5 mg/L
Macro nutrients:
Na2SiO3.9H2O 10.0 mg/L
NaNO3 0.27 mg/L
KH2PO4 0.14 mg/L
K2HPO4 0.18 mg/L
Vitamins: Thiamine 75.0 µg/L
B12 1.0 µg/L
Biotin 0.75 µg/L
The hardness: 180 mg/L expressed as CaCO3 and the pH: 7.7 ± 0.3.
OTHER TEST CONDITIONS
- Adjustment of pH: no
- Photoperiod: A daily photoperiod of 16 hours
- Light intensity: not specified
EFFECT PARAMETERS MEASURED (with observation intervals if applicable) :
Immobility (including mortality) At 24 hours and at 48 hours.
pH and Dissolved oxygen At the beginning and at the end of the test, for the highest concentration and the control.
Temperature of medium Continuously in a temperature control vessel, beginning at the start of the test.
VEHICLE CONTROL PERFORMED: yes (medium)
RANGE-FINDING STUDY
- Test concentrations: 0.10, 1.00, 10 and 100 mg/L
- Results used to determine the conditions for the definitive study: combined limit/range-finding study - Reference substance (positive control):
- yes
- Remarks:
- potassium dichromate
- Duration:
- 24 h
- Dose descriptor:
- EC50
- Effect conc.:
- > 88 mg/L
- Nominal / measured:
- meas. (geom. mean)
- Conc. based on:
- test mat.
- Basis for effect:
- mobility
- Remarks on result:
- other: corresponds to nominal concentration of 100 mg/L
- Duration:
- 48 h
- Dose descriptor:
- EC50
- Effect conc.:
- > 88 mg/L
- Nominal / measured:
- meas. (geom. mean)
- Conc. based on:
- test mat.
- Basis for effect:
- mobility
- Remarks on result:
- other: corresponds to nominal concentration of 100 mg/L
- Results with reference substance (positive control):
- The actual responses in this reference test with K2Cr2O7 are within the ranges of the expected responses at the different concentrations, i.e. the 48h-EC50 was between 0.3 and 1.0 mg/L. Hence, the sensitivity of this batch of D. magna was in agreement with the historical data collected at Charles River Den Bosch.
The 48h-EC50 was 0.59 mg/L with a 95% confidence interval between 0.53 and 0.72 mg/L. - Validity criteria fulfilled:
- yes
- Conclusions:
- In conclusion, the 48h-EC50 for Daphnia magna exposed to 3,4-dihydro-2,4-dioxo-1,3-2h-benzoxazine was beyond the range of concentrations tested, i.e. exceeded an average exposure concentration of 88 mg/L (nominal concentration of 100 mg/L).
- Executive summary:
The objective of the study was to evaluate 3,4-dihydro-2,4-dioxo-1,3-2h-benzoxazine for its ability to generate acute toxic effects on the mobility of Daphnia magna during an exposure period of 48 hours and, if possible, to determine the EC50at 24 and 48 hours of exposure.
The study procedures described in this report were based on the OECD guideline No. 202, 2004.
The batch of 3,4-dihydro-2,4-dioxo-1,3-2h-benzoxazine tested was a white powder with a purity of approximately 99% which was completely soluble in test medium at the concentrations tested.
A combined limit/range-finding test was performed. Twenty daphnids per group (5 per replicate, quadruplicate) were exposed to an untreated control and to a nominal concentration of 100 mg/L, in a limit test. In addition ten daphnids per group (5 per replicate, duplicate) were exposed to nominally 0.10, 1.0 and 10 mg/L in the combined range-finding test. The total exposure period was 48 hours and samples for analytical confirmation of exposure concentrations were taken at the start and at the end of the test.
Samples taken from the limit concentration were analysed. The measured concentration at the start of the test was 99 mg/L and had decreased to 79% relative to nominal at the end of the test. Based on these results, effect parameters were expressed in terms of the average exposure concentration, calculated to be 88 mg/L.
No immobility was observed in the control and at any of the test concentrations throughout the exposure period.
The study met the acceptability criteria prescribed by the study plan and was considered valid.
In conclusion, the 48h-EC50for Daphnia magna exposed to 3,4-dihydro-2,4-dioxo-1,3-2h-benzoxazine was beyond the range of concentrations tested, i.e. exceeded an average exposure concentration of 88 mg/L (nominal 100 mg/L).- Endpoint:
- short-term toxicity to aquatic invertebrates
- Type of information:
- read-across from supporting substance (structural analogue or surrogate)
- Adequacy of study:
- key study
- Reason / purpose for cross-reference:
- read-across source
- Duration:
- 48 h
- Dose descriptor:
- EC50
- Effect conc.:
- > 95.6 mg/L
- Nominal / measured:
- meas. (geom. mean)
- Conc. based on:
- test mat.
- Basis for effect:
- mobility
- Remarks on result:
- other: corresponds to nominal concentration of 100 mg/L
- Duration:
- 24 h
- Dose descriptor:
- EC50
- Effect conc.:
- > 95.6 mg/L
- Nominal / measured:
- meas. (arithm. mean)
- Conc. based on:
- test mat.
- Basis for effect:
- mobility
- Remarks on result:
- other: corresponds to nominal concentration of 100 mg/L
- Results with reference substance (positive control):
- The actual responses in this reference test with K2Cr2O7 are within the ranges of the expected responses at the different concentrations, i.e. the 48h-EC50 was between 0.3 and 1.0 mg/L. Hence, the sensitivity of this batch of D. magna was in agreement with the historical data collected at Charles River Den Bosch.
The 48h-EC50 was 0.59 mg/L with a 95% confidence interval between 0.53 and 0.72 mg/L. - Validity criteria fulfilled:
- yes
- Conclusions:
- The OECD 202 test of a structurally similar substance was used to assess the short-term toxicity to aquatic invertebrates. The 48h-EC50 for Daphnia magna exposed to 3,4-dihydro-2,4-dioxo-1,3-2h-benzoxazine (CH02586) was beyond the range of concentrations tested, i.e. exceeded an average exposure concentration of 88 mg/L (nominal concentration of 100 mg/L), corresponding to 95.6 mg/L CH03131. Based on this result, no effects are expected for CH03131 at concentrations up to 95.6 mg/L or higher. No GHS classification for aquatic toxicity is required for CH03131.
Referenceopen allclose all
Description of key information
Based on read-across from a structural analogue, the EC50 for CH03131 is >95.6 mg/L and no classification is required for CH03131. This is further supported by QSAR predictions (EPA Daphnia QSAR).
Key value for chemical safety assessment
Fresh water invertebrates
Fresh water invertebrates
- Effect concentration:
- 95.6 mg/L
Additional information
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